CID 165949179

Tert-butyl 2-{[imino(methyl)oxo-lambda6-sulfanyl]methyl}morpholine-4-carboxylate

Structural Information

Molecular Formula

C₁₁H₂₂N₂O₄S

SMILES

CC(C)(C)OC(=O)N1CCOC(C1)CS(=N)(=O)C

InChI

InChI=1S/C11H22N2O4S/c1-11(2,3)17-10(14)13-5-6-16-9(7-13)8-18(4,12)15/h9,12H,5-8H2,1-4H3

InChIKey

ZVZMHWGDWKBWDH-UHFFFAOYSA-N

Compound name

tert-butyl 2-[(methylsulfonimidoyl)methyl]morpholine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 278.13004 Da
Monoisotopic Mass: 1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	279.137316	163.0
[M+Na]+	301.119258	167.7
[M-H]-	277.122764	165.1
[M+NH4]+	296.163863	176.6
[M+K]+	317.093198	167.3
[M+H-H2O]+	261.127300	156.8
[M+HCOO]-	323.128241	173.7
[M+CH3COO]-	337.143891	196.5
[M+Na-2H]-	299.104706	166.1
[M]+	278.12949142	163.9
[M]-	278.13058858	163.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.